Non-Local Corrections to the Electronic Structure of Metal Surfaces.
CALIFORNIA UNIV SAN DIEGO LA JOLLA DEPT OF PHYSICS
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A non-local exchange-correlation term, derived from the static dielectric function of Vashishta and Singwi VS, is introduced into the density functional for an interacting electron gas. The coefficient is chosen to give the same surface energy for two adjacent jellium metals of nearly equal density as is obtained from the VS dielectric function. This density functional is then used to calculate surface energies and work functions for metal-vacuum interfaces. The results for both surface energies and work functions found in this way are significantly higher than the experimental values. Possible explanations for the discrepancies are discussed.
- Solid State Physics